2-[(Pyridin-2-yl)amino]cyclohexan-1-one

Base Information

• Chemical Name: 2-[(Pyridin-2-yl)amino]cyclohexan-1-one
• CAS No.: 85230-38-2
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.245
• DSSTox Substance ID: DTXSID20517307
• Mol file: 85230-38-2.mol

Synonyms:85230-38-2;2-[(Pyridin-2-yl)amino]cyclohexan-1-one;DTXSID20517307

Chemical Property of 2-[(Pyridin-2-yl)amino]cyclohexan-1-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)NC2=CC=CC=N2

Technology Process of 2-[(Pyridin-2-yl)amino]cyclohexan-1-one

There total 2 articles about 2-[(Pyridin-2-yl)amino]cyclohexan-1-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 34.0%

2-aminopyridine (504-29-0) + 2-Chlorocyclohexanone (822-87-7) → 2-[2]pyridylamino-cyclohexanone (85230-38-2) + 6,7,8,9-tetrahydropyrido<1,2-a>benzimidazole (38303-26-3)

Guidance literature:

With sodium carbonate; In ethanol; for 3h; Heating;

Reference yield:

2-aminopyridine (504-29-0) + 2-Chlorocyclohexanone (822-87-7) → 2-[2]pyridylamino-cyclohexanone (85230-38-2)

Guidance literature:

With ethanol; sodium carbonate;

DOI:10.1039/jr9510002411

Reference yield: 92.0%

2-[2]pyridylamino-cyclohexanone (85230-38-2) → (1S,2R)-2-(pyridin-2-ylamino)cyclohexanol (1192214-54-2)

Guidance literature:

With RuCl₂[(S)-XylSDP][(R,R)-DPEN]; potassium tert-butylate; hydrogen; In isopropyl alcohol; at 20 ℃; for 20h; under 7600.51 Torr; optical yield given as %ee; enantioselective reaction; Autoclave;

DOI:10.1021/ol901605a

upstream raw materials:

2-aminopyridine

2-Chlorocyclohexanone

Downstream raw materials:

(1S,2R)-2-(pyridin-2-ylamino)cyclohexanol

Refernces

• 1、 Elliott, Arthur J.,Guzik, Henry,Soler, Jose R.. "On the Reaction of 2-Aminopyridines with alpha-Halocarbonyl Compounds". . p. 1437 - 1440. Retrieved 2007/10/02.